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Ligand

NameCHEMBL517391
Molecular formulaC20H24FN3O5S
IUPAC name[(3R)-3-aminopyrrolidin-1-yl]-[(2S,4S)-1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonyl-4-hydroxypyrrolidin-2-yl]methanone
Molecular weight437.486
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP0.6
SynonymsBDBM50412977
Inchi KeyAVJHHZKCFDWAHM-GLJUWKHASA-N
Inchi IDInChI=1S/C20H24FN3O5S/c1-12-2-5-19(29-12)16-4-3-15(9-17(16)21)30(27,28)24-11-14(25)8-18(24)20(26)23-7-6-13(22)10-23/h2-5,9,13-14,18,25H,6-8,10-11,22H2,1H3/t13-,14+,18+/m1/s1
PubChem CID44570967
ChEMBLCHEMBL517391
IUPHARN/A
BindingDB50412977
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
15343Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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